Marvin 02081312292D 74 82 0 0 0 0 999 V2000 14.3729 -47.0946 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 11.7162 -40.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4302 -42.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0017 -42.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4305 -41.2157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0017 -41.2153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1444 -42.4533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 -42.4522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7159 -42.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 -48.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8749 -44.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 -43.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 -48.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 -47.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 -43.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1629 -48.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0498 -44.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6373 -43.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8746 -43.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4002 -47.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 -48.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3998 -44.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8124 -45.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6374 -45.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0496 -43.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8126 -46.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -46.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6374 -48.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 -46.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 -47.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3379 -48.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 -48.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -43.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -45.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 -44.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3514 -42.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9225 -42.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2244 -41.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 -48.1678 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -44.5956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -42.4523 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8560 -48.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 -44.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1442 -43.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0309 -48.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8562 -47.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6193 -43.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2686 -48.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3816 -44.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7942 -43.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5569 -43.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0312 -47.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6186 -48.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0317 -44.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6190 -45.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -45.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3818 -43.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6188 -46.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0314 -46.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -48.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3814 -46.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0936 -47.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0936 -48.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9186 -48.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8567 -43.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8567 -45.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6817 -44.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 -42.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5089 -42.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2071 -41.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0936 -48.1690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8567 -44.5968 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7945 -42.4534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -47.1443 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 9 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 18 25 1 0 0 0 0 19 25 2 0 0 0 0 19 8 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 30 39 1 0 0 0 0 31 39 2 0 0 0 0 32 39 2 0 0 0 0 33 40 1 0 0 0 0 34 40 2 0 0 0 0 35 40 2 0 0 0 0 36 41 1 0 0 0 0 37 41 2 0 0 0 0 38 41 2 0 0 0 0 42 45 2 0 0 0 0 42 48 1 0 0 0 0 43 44 2 0 0 0 0 43 49 1 0 0 0 0 44 51 1 0 0 0 0 45 53 1 0 0 0 0 46 48 2 0 0 0 0 46 52 1 0 0 0 0 47 50 2 0 0 0 0 47 54 1 0 0 0 0 48 71 1 0 0 0 0 49 50 1 0 0 0 0 49 56 2 0 0 0 0 50 57 1 0 0 0 0 51 57 2 0 0 0 0 51 7 1 0 0 0 0 52 53 2 0 0 0 0 52 58 1 0 0 0 0 53 60 1 0 0 0 0 54 55 2 0 0 0 0 54 72 1 0 0 0 0 55 56 1 0 0 0 0 55 59 1 0 0 0 0 56 61 1 0 0 0 0 57 73 1 0 0 0 0 58 59 2 0 0 0 0 62 71 1 0 0 0 0 63 71 2 0 0 0 0 64 71 2 0 0 0 0 65 72 1 0 0 0 0 66 72 2 0 0 0 0 67 72 2 0 0 0 0 68 73 1 0 0 0 0 69 73 2 0 0 0 0 70 73 2 0 0 0 0 29 74 1 0 0 0 0 28 74 1 0 0 0 0 1 61 1 0 0 0 0 1 60 1 0 0 0 0 M END > CHEBI:72307 > Reactive Red 6 hapten copper complex > The copper coordination entity formed from Reactive Red 6 hapten by coordination to copper of the two hydroxy groups of each phenylazo-2-naphthyl substituent. > 3 > RR6 hapten; Reactive Red 6 hapten > mu-[5-(hydroxy-1kappaO)-2-[(4-{[5-(hydroxy-2kappaO)-6-{(E)-[2-(hydroxy-2kappaO)-5-sulfophenyl]diazenyl}-1,7-disulfo-2-naphthyl]amino}-1,3,5-triazin-2-yl)amino]-6-{(E)-[2-(hydroxy-1kappaO)-5-sulfophenyl]diazenyl}naphthalene-1,7-disulfonato(4-)]dicopper > C35H21Cu2N9O22S6 > 1239.07000 > 1236.77174 > 0 > OS(=O)(=O)c1ccc2O[Cu]Oc3c(\N=N\c2c1)c(cc1c(c(Nc2ncnc(Nc4ccc5c6O[Cu]Oc7ccc(cc7\N=N\c6c(cc5c4S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)n2)ccc31)S(O)(=O)=O)S(O)(=O)=O > InChI=1S/C35H25N9O22S6.2Cu/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46;;/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40);;/q;2*+2/p-4/b43-41+,44-42+;; > PQDGEMLPCDBNLQ-KNZLDKEQSA-J > 10684599 $$$$